2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole

C10H15ClN2OS — CID 80609564

IUPAC2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole
SMILESCC1CCC(OCc2nnc(Cl)s2)CC1
InChIInChI=1S/C10H15ClN2OS/c1-7-2-4-8(5-3-7)14-6-9-12-13-10(11)15-9/h7-8H,2-6H2,1H3
InChIKeyOEUUHVCUWARLAZ-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole

2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole (PubChem CID 80609564) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole
PubChem CID80609564
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole
SMILESCC1CCC(OCc2nnc(Cl)s2)CC1
InChIInChI=1S/C10H15ClN2OS/c1-7-2-4-8(5-3-7)14-6-9-12-13-10(11)15-9/h7-8H,2-6H2,1H3
InChIKeyOEUUHVCUWARLAZ-UHFFFAOYSA-N
XLogP3.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole (CID 80609564) is 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole is CC1CCC(OCc2nnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole?
The InChIKey is OEUUHVCUWARLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-7-2-4-8(5-3-7)14-6-9-12-13-10(11)15-9/h7-8H,2-6H2,1H3.
What are the key properties of 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole?
2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole has a molecular weight of 246.76 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 80609564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).